Geometry & MOs

Info

ID:	166453
PubChem CID:	74689948
Reduced:	NO6C24H29 (1)
Stoich.:	AB6C24D29 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-228.61
Dipole, Da:	3.32
IP(EA), eV:	-9.2(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylphenyl)-4,7-dimethyl-2-(3-oxobutan-2-yl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

Drug info:

PubChemData

Smile

CC1CC2=C(C(C(C(=N2)C)C(=O)OCCOC)C3=CC=CC=C3C)C(=O)C1C(=O)OC

DOS

IR

Vibrations